N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide

C21H15ClN2O4 — CID 4783520

IUPACN-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C21H15ClN2O4/c22-18-11-10-15(12-19(18)24(27)28)20(25)16-8-4-5-9-17(16)21(26)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,26)
InChIKeyAQZBOHJOUWJLBR-UHFFFAOYSA-N
MW394.81 g/mol
LogP4.41
Rot. Bonds6

About N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide

N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide (PubChem CID 4783520) has the molecular formula C21H15ClN2O4 and a molecular weight of 394.81 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide
PubChem CID4783520
Molecular FormulaC21H15ClN2O4
Molecular Weight394.81 g/mol
Exact Mass394.07
IUPAC NameN-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C21H15ClN2O4/c22-18-11-10-15(12-19(18)24(27)28)20(25)16-8-4-5-9-17(16)21(26)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,26)
InChIKeyAQZBOHJOUWJLBR-UHFFFAOYSA-N
XLogP4.41
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzylcarbamoyl)phenyl]-4-chloro-N-methyl-3-nitrobenzamide
CID 4930847
N-[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]-4-chloro-3-nitrobenzamide
CID 4930929
3-[[(4-chloro-3-nitrobenzoyl)amino]methyl]benzoic acid
CID 108745366
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 2616869
N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide
CID 18271698
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 55596255
2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide
CID 3358329
4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 4930557
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(thiophen-3-ylmethyl)benzamide
CID 55689206
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
2-(4-chloro-3-nitrobenzoyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 5001332
[1-oxo-1-(propylamino)propan-2-yl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 46620221

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide?
The IUPAC name of N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide (CID 4783520) is N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide?
The canonical SMILES for N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide is O=C(NCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide?
The InChIKey is AQZBOHJOUWJLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O4/c22-18-11-10-15(12-19(18)24(27)28)20(25)16-8-4-5-9-17(16)21(26)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,26).
What are the key properties of N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide?
N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide has a molecular weight of 394.81 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide is sourced from PubChem (CID 4783520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).